ethyl 2-oxobenzimidazole-5-carboxylate

C10H8N2O3 — CID 124517733

IUPACethyl 2-oxobenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C10H8N2O3/c1-2-15-9(13)6-3-4-7-8(5-6)12-10(14)11-7/h3-5H,2H2,1H3
InChIKeyXMFNXGBHMGIAQK-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.24
Rot. Bonds2

About ethyl 2-oxobenzimidazole-5-carboxylate

ethyl 2-oxobenzimidazole-5-carboxylate (PubChem CID 124517733) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is ethyl 2-oxobenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxobenzimidazole-5-carboxylate
PubChem CID124517733
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Nameethyl 2-oxobenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C10H8N2O3/c1-2-15-9(13)6-3-4-7-8(5-6)12-10(14)11-7/h3-5H,2H2,1H3
InChIKeyXMFNXGBHMGIAQK-UHFFFAOYSA-N
XLogP0.24
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,2-dimethyl-1,3-dioxidobenzimidazole-1,3-diium-5-carboxylate
CID 155547061
Methyl 2-oxoindole-6-carboxylate
CID 53400341
ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
CID 119057460
Ethyl 6-amino-2-oxobenzimidazole-5-carboxylate
CID 20490779
Methyl spiro[benzimidazole-2,1'-cyclohexane]-5-carboxylate
CID 20537674
Methyl 2-oxoindole-5-carboxylate
CID 46739851
Tert-butyl 2-amino-2-sulfanylbenzimidazole-5-carboxylate
CID 53666845
Methyl 2-oxobenzimidazole-4-carboxylate
CID 53852123
Ethyl 3-(2-oxobenzimidazol-4-yl)but-2-enoate
CID 53926214
Ethyl 4-diazocyclohexa-1,5-diene-1-carboxylate
CID 54066856
Methyl 3-diazocyclohexa-1,5-diene-1-carboxylate
CID 54147688
Ethyl 2-oxo-5-propan-2-ylbenzimidazole-4-carboxylate
CID 66979051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxobenzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-oxobenzimidazole-5-carboxylate (CID 124517733) is ethyl 2-oxobenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-oxobenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-oxobenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of ethyl 2-oxobenzimidazole-5-carboxylate?
The InChIKey is XMFNXGBHMGIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-2-15-9(13)6-3-4-7-8(5-6)12-10(14)11-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-oxobenzimidazole-5-carboxylate?
ethyl 2-oxobenzimidazole-5-carboxylate has a molecular weight of 204.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxobenzimidazole-5-carboxylate is sourced from PubChem (CID 124517733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).